CID 22052

5804-62-6

Structural Information

Molecular Formula
C15H25NO2
SMILES
CCCCCCCCOC1=C(C=C(C=C1)N)CO
InChI
InChI=1S/C15H25NO2/c1-2-3-4-5-6-7-10-18-15-9-8-14(16)11-13(15)12-17/h8-9,11,17H,2-7,10,12,16H2,1H3
InChIKey
OBBIUTKBYBFQRJ-UHFFFAOYSA-N
Compound name
(5-amino-2-octoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.18852 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.19580 161.7
[M+Na]+ 274.17774 172.2
[M+NH4]+ 269.22234 168.8
[M+K]+ 290.15168 165.0
[M-H]- 250.18124 163.5
[M+Na-2H]- 272.16319 166.1
[M]+ 251.18797 163.5
[M]- 251.18907 163.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.